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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A multiomics mass spectrometry workflow for fast and comprehensive strain optimization (Abstract CRADA 726 )

The Agile Biofoundry (ABF) is a multi-national lab consortium funded by the DOE Bioenergy Technologies Office that has developed a biofoundry that enables the rapid deployment of bioproducts into the market. The ABF is a flexible platform that can adjust to the needs of numerous government, academic and industrial partners, thus enabling them to rapidly develop and optimize the production of a wide range of bioproducts. To enhance this capability, PNNL and Agilent Technologies are collaborating to expand and demonstrate a prototype system that processes hundreds of samples per day by liquid chromatography-mass spectrometry-based untargeted and targeted methods, and artificial intelligence software for multiomics applications, including metabolomics, lipidomics and proteomics.

Bilbao, Aivett (ORCID:0000000329858249)↗
DOE OSTI2022

Evolutionary Divergence of Marinobacter Strains in Cryopeg Brines as Revealed by Pangenomics

Marinobacter spp. are cosmopolitan in saline environments, displaying a diverse set of metabolisms that allow them to competitively occupy these environments, some of which can be extreme in both salinity and temperature. Here, we introduce a distinct cluster of Marinobacter genomes, composed of novel isolates and in silico assembled genomes obtained from subzero, hypersaline cryopeg brines, relic seawater-derived liquid habitats within permafrost sampled near Utqiaġvik, Alaska. Using these new genomes and 45 representative publicly available genomes of Marinobacter spp. from other settings, we assembled a pangenome to examine how the new extremophile members fit evolutionarily and ecologically, based on genetic potential and environmental source. This first genus-wide genomic analysis revealed that Marinobacter spp. in general encode metabolic pathways that are thermodynamically favored at low temperature, cover a broad range of organic compounds, and optimize protein usage, e.g., the Entner–Doudoroff pathway, the glyoxylate shunt, and amino acid metabolism. The new isolates contributed to a distinct clade of subzero brine-dwelling Marinobacter spp. that diverged genotypically and phylogenetically from all other Marinobacter members. The subzero brine clade displays genomic characteristics that may explain competitive adaptations to the extreme environments they inhabit, including more abundant membrane transport systems (e.g., for organic substrates, compatible solutes, and ions) and stress-induced transcriptional regulatory mechanisms (e.g., for cold and salt stress) than in the other Marinobacter clades. We also identified more abundant signatures of potential horizontal transfer of genes involved in transcription, the mobilome, and a variety of metabolite exchange systems, which led to considering the importance of this evolutionary mechanism in an extreme environment where adaptation via vertical evolution is physiologically rate limited. Assessing these new extremophile genomes in a pangenomic context has provided a unique view into the ecological and evolutionary history of the genus Marinobacter , particularly with regard to its remarkable diversity and its opportunism in extremely cold and saline environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Effects of Pectinase on Bacterial Succession during Hemp Retting

Pectinase accelerates hemp retting. An elevated temperature during the enzymatic action is favorable for bacterial colonization. Industrial hemp (Cannabis sativa L.) bast fiber was retted in a 40 °C water bath under four different conditions: water retting, pectinase retting, bacterial retting, and bacterial retting with the presence of pectinase. Bacterial communities were sampled from the retting liquid of each condition at the beginning of retting and on days 1, 3, and 5. The bacterial successions were identified by 16S rRNA gene metagenomic sequencing. The results showed that Bacillaceae dominated the hemp retting conditions containing 1% (m/v) pectinase, suggesting that pectinase can manipulate the bacterial community succession by changing the nutrients available to bacteria through the breakdown of pectin. Micromorphological analysis also observed the degradation of a gum-like substance and the aggregation of bacteria with the addition of pectinase.

Engineering↗
DOE OSTI2022

Effect of Moisture and Feedstock Variability on the Rheological Behavior of Corn Stover Particles

Continuous feeding, processing, and handling of biomass powders is pivotal to the economic viability of integrated biorefineries. However, current challenges associated with the operational reliability of bulk solids handling and transport greatly impact the process economics and ultimately the widespread commercialization of integrated biorefineries. In this work, we examine the effect of moisture and feedstock variability on the flow behavior of corn stover biomass particles. The total flow energy, compressibility, shear properties, and wall friction angles were measured for corn stover samples A and B containing 0%, 15%, 25%, 50%, and 75% (mass fraction) moisture contents using a FT4 powder rheometer. In general, the flowability of both A and B was reduced when moisture was present as indicated by the stability and variable flow rate, compressibility, and shear tests. The 15% moisture sample had the highest flow energy, revealing the interplay between the increased surface tension and looser packing both of which were caused by liquid bridging. The 75% moisture sample had the highest compressibility and the lowest flowability factor (ff c ). The trend in wall friction angle was found to be dependent upon the surface hydrophobicity of the wall material. The wall friction angle on the hydrophilic, stainless-steel surface increased with moisture and therefore poses additional handling challenges. On the other hand, the wall friction angle on the hydrophobic polymer surfaces were the lowest for samples with intermediate moisture contents. Sample B had greater bulk density, smaller compressibility, and greater flowability than the sample A , as suggested by the compressibility and shear tests. The wall friction angle of sample B was higher than or equal to that of sample A depending on both the type and the surface roughness of the wall material.

09 BIOMASS FUELS↗
DOE OSTI2022

Atmospheric Brown Carbon on the Tibetan Plateau: Regional Differences in Chemical Composition and Light Absorption Properties

In this work, fine particulate matter (PM 2.5 ) filter samples were collected from two high-altitude remote sites located in the southern (QOMS) and northern (WLG) regions of the Tibetan Plateau (TP) to explore the regional differences in brown carbon (BrC) properties. Chemical differences in BrC composition representative of these two areas were inferred from molecular-level analysis of the PM 2.5 samples using high-performance liquid chromatography coupled with photodiode array and high-resolution mass spectrometry detectors. The results show that more polar BrC chromophores were abundant in QOMS samples, while contributions from polar and less polar chromophores were comparable in WLG samples. A higher mass absorption coefficient of BrC was observed at QOMS than at WLG. Strong BrC chromophores in QOMS samples were identified as oxygenated aromatics and nitrophenol compounds, while organosulfate compounds were found in the WLG sample. The results of this study indicate regional differences in BrC chromophores and provide insights into their sources and chemical processes, which should be considered for predictive understanding and modeling of the radiative forcing of aerosol in the TP area.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Molecular-Resolution Electron Imaging of Defects and Dynamics at the Ice-Water Interface

Water crystallization into hexagonal ice (type I h ) is one of the most critical processes relevant to the Earth’s environment and human activities. However, despite recent breakthroughs in imaging non-equilibrium condensed ice structures, the ice-water interface has never been imaged at a molecular resolution. This is primarily due to the low stability of the hydrogen bonds in ice under high-resolution microscopy conditions and a lack of methods to prepare compatible samples. Here, this presentation describes the first molecular-resolution imaging of ice crystallized from liquid water and the ice-water interface using high-resolution transmission electron microscopy (HRTEM). By encapsulating deionized (DI) water between two amorphous carbon (a-C) TEM grids and subsequently freezing it with liquid N 2 on a cryo sample stage, we generated two types of ice: non-equilibrium, condensed ice from the atmosphere and encapsulated ice from the DI water (Fig. 1A). Condensed ice usually shows irregular, spherulitic shapes (Fig. 1B). Selected area electron diffraction (SAED) shows that they are a mixture of cubic and hexagonal crystals (Fig. 1C). On the contrary, encapsulated ice forms thin films that contain large-area single-crystalline regions of hexagonal ice oriented along the [0001] zone axis (Fig. 1D). Differential electron energy-loss spectroscopy (EELS) confirmed the high purity of the encapsulated ice free from organic contaminations that are common in other encapsulation methods for HRTEM such as graphene liquid cells. These single-crystalline areas are robust under the electron beam up to ~100 e/Å 2 s. Aberration-corrected HRTEM imaging in these areas achieved a line resolution of ~1.3 Å (Fig. 1E and F). This platform allows us to study near-equilibrium ice structures and dynamics at an unprecedented spatial resolution (Fig. 2). For example, we discovered subdomain-rich regions near the defective crystal edges despite the structure appearing single-crystalline according to diffraction criteria. These subdomains connect via low-angle grain boundaries with flat energy landscapes as a function of tilt angles (according to simulations), showing the high tolerance of ice to defect structures. When we tuned the sample temperature and electron flux rate, we observed radiolysis-controlled bubble generation and dissolution in ice single crystals near a steady state of bubble dynamics. Furthermore, rich beam-induced melting and recrystallization dynamics were observed at the ice-water interface with lattice resolution. These data represent the first observation of the ice-water phase transformation at the sub-nanometer level. In summary, the methods developed in this work enabled molecular-resolution observations of ice and the ice-water interface and shed light on the microstructures and phase transformation pathways. Finer control on the temperature, electron irradiation profile, and imaging detector could eventually lead to real-time observation of ice nucleation in water and address long-standing questions in the nucleation pathways.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Alternating chempolishing and electropolishing for interior and exterior surface finishing of additively manufactured (AM) metal components

Additively manufactured (AM) components’ surface finishing is crucial in adopting them for intended applications in challenging environments involving fatigue, corrosion, high temperature, and nuclear radiation. In our prior research, chempolishing (C) was utilized as an electroless etching process that uniformly smoothens complex AM components’ accessible interior and exterior surfaces (Tyagi et al. Additive Manufacturing, 25:32–38, 22). A wide range of electropolishing (E) has been demonstrated for AM surface finishing. However, electropolishing can impact a surface that can be juxtaposed to counter electrode and can yield a very smooth surface to sub-micrometer level roughness. However, a knowledge gap exists about the impact of applying both approaches on the same surface one after another and what new advantages may arise because of combining two methods. This paper uses dual-stage liquid-based surface finishing strategies produced by alternating the chempolishing (C) and electropolishing (E) steps. Two dual-stage surface finishing approaches, i.e., chempolishing followed by electropolishing (CE) and electropolishing followed by chempolishing (EC), were performed on the 316 stainless AM steel component. Impacts of EC and CE approaches were compared with single-stage C and E surface finishing approaches. An optical microscope and mechanical profilometer were utilized to investigate the wide range of surface roughness parameters. CE and EC produced Ra ~ 1.4 µm and ~ 1.6 µm, respectively. Surface roughness on CE- and EC-treated AM samples was lower than those individually treated by C and E approaches. Scanning electron microscopy provided further insights into the microstructural difference between CE- and EC-treated AM samples. This paper reports a liquid contact angle study on CE- and EC-treated AM samples to provide insights into the relative difference in surface energy that is crucial for making coatings on AM parts. A spectroscopic reflectance study was also employed to register the difference in physical properties of AM components treated with CE and EC approaches. Further, this study reveals industrially practicable interior and exterior surface finishing approaches for complex AM metal components that require minimum tooling and real-time process monitoring.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-Temperature and High-Pressure In Situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy

Nuclear magnetic resonance (NMR) spectroscopy represents an important technique to understand the structure and bonding environment of molecules. There exists a drive to conduct characterization experiment under conditions relevant to the chemical process of interest. To address this, in situ high-temperature, high-pressure MAS NMR methods have been developed to enable the observation of chemical interactions over a range of pressures (vacuum to several hundred bar) and temperatures (well below 0°C to 250°C). Further, the chemical identity of the samples can be comprised of solids, liquids, and gases or mixtures of the three. The method incorporates all-zirconia NMR rotors (sample holder for MAS NMR) which can be sealed using a threaded cap to compress an O-ring. This rotor exhibits great chemical resistance, temperature compatibility, low NMR background, and can withstand high pressures. These factors combined enable its use in a wide range of system combinations which permit its use in diverse fields as carbon sequestration, catalysis, material science, geochemistry, and biology. The flexibility of this technique makes it an attractive option for scientists from numerous disciplines.

Nuclear Magnetic Resonance, NMR, in situ, spectros↗
DOE OSTI2024

Advanced manufacturing provides tailor-made solutions for crystallography with x-ray free-electron lasers

Serial crystallography at large facilities, such as x-ray free-electron lasers and synchrotrons, evolved as a powerful method for the high-resolution structural investigation of proteins that are critical for human health, thus advancing drug discovery and novel therapies. However, a critical barrier to successful serial crystallography experiments lies in the efficient handling of the protein microcrystals and solutions at microscales. Microfluidics are the obvious approach for any high-throughput, nano-to-microliter sample handling, that also requires design flexibility and rapid prototyping to deal with the variable shapes, sizes, and density of crystals. Here, we discuss recent advances in polymer 3D printing for microfluidics-based serial crystallography research and present a demonstration of emerging, large-scale, nano-3D printing approaches leading into the future of 3D sample environment and delivery device fabrication from liquid jet gas-dynamic virtual nozzles devices to fixed-target sample environment technology.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Untargeted metabolite data from a root surface in a rhizobox

Raw data is provided from samples analyzed using separate reverse phase chromatographic methods on a high performance liquid chromatograph with mass spectrometry. These porewater samples were collected from a microdialysis which generated samples along the surface of a growing A. sative root (all_hc). This data was used to answer questions connecting rhizosphere metabolite (putatively identified metabolites, hc_putative_norm) changes over time (root growth) with changes in the surrounding rhizosphere biogeochemistry (DOC, redox, pH). Rhizosphere biogeochemistry values are provided in the hc_putative_norm file as averages over their respective range of time that they were collected at. The hc_putative_norm file also contains all normalized values over only the intensity values collected for putatively identified metabolites.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Chemical composition of material extractives influences microbial growth and dynamics on wetted wood materials

The impact of material chemical composition on microbial growth on building materials remains relatively poorly understood. We investigate the influence of the chemical composition of material extractives on microbial growth and community dynamics on 30 different wood species that were naturally inoculated, wetted, and held at high humidity for several weeks. Microbial growth was assessed by visual assessment and molecular sequencing. Unwetted material powders and microbial swab samples were analyzed using reverse phase liquid chromatography with tandem mass spectrometry. Different wood species demonstrated varying susceptibility to microbial growth after 3 weeks and visible coverage and fungal qPCR concentrations were correlated (R 2 = 0.55). Aspergillaceae was most abundant across all samples; Meruliaceae was more prevalent on 8 materials with the highest visible microbial growth. A larger and more diverse set of compounds was detected from the wood shavings compared to the microbial swabs, indicating a complex and heterogeneous chemical composition within wood types. Several individual compounds putatively identified in wood samples showed statistically significant, near-monotonic associations with microbial growth, including C 11 H 16 O 4 , C 18 H 34 O 4 , and C 6 H 15 NO. A pilot experiment confirmed the inhibitory effects of dosing a sample of wood materials with varying concentrations of liquid C 6 H 15 NO (assuming it presented as Diethylethanolamine).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Pharmacokinetics, Metabolite Measurement, and Biomarker Identification of Dermal Exposure to Permethrin Using Accelerator Mass Spectrometry

Impregnating military uniforms and outdoor clothing with the insecticide permethrin is an approach to reduce exposure to insect borne diseases and to repel pests and disease vectors such as mosquitos and sandflies, but the practice exposes wearers to prolonged dermal exposure to the pesticide. Key metabolite(s) from a low dose dermal exposure of permethrin were identified using accelerator mass spectrometry. Metabolite standards were synthesized and a high performance liquide chromatography (HPLC) elution protocol to separate individual metabolites in urine was developed. Six human subjects were exposed dermally on the forearm to 25 mg of permethrin containing 1.0 µCi of 14 C for 8 h. Blood, saliva and urine samples were taken for 7d. Absorption/elimination rates and metabolite concentrations varied by individual. Average absorption was 0.2% of the dose. Serum concentrations rose until 12–24 h postdermal application then rapidly declined reaching predose levels by 72 h. Maximum saliva excretion occurred 6 h postdosing. The maximum urinary excretion rate occurred during 12–24 h; average elimination half-life was 56 h. 3-Phenoxybenzyl alcohol glucuronide was the most abundant metabolite identified when analyzing elution fractions, but most of the radioactivity was in still more polar fractions suggesting extensive degradative metabolism and for which there were no standards. Finally, analyses of archived urine samples with the ultra performance liquid chromatography-accelerator mass spectrometry-mass spectrometry (UPLC-AMS-MS) system isolated a distinct polar metabolite but it was much diminished from the previous analyses a decade earlier.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Cyclotron resonance in a kagome spin liquid candidate material

We propose cyclotron resonance as an optical probe for emergent fractionalized excitations in U⁡(1) quantum spin liquids, focusing on kagome antiferromagnets. In contrast to conventional systems, where cyclotron resonance directly couples to charged carriers, spinons in spin liquids are charge-neutral and interact only through an emergent gauge field, making direct probing challenging. We identify two key mechanisms by which an external physical electromagnetic field induces emergent electric and magnetic fields, enabling indirect coupling to spinons. Using these mechanisms, we compute the absorption rate of the cyclotron resonance response for Dirac spinons forming Landau levels. Our analysis shows that, although the absorption per layer is small, the absence of a skin-depth limitation in insulating spin liquids allows for cumulative absorption comparable to graphene in realistic sample sizes for the recently discovered spin-liquid candidate material YCu 3⁢ (OH) 6⁢ Br 2 ⁢[Br 1−𝑦 ⁢(OH) 𝑦 ]. Furthermore, our proposed cyclotron-resonance measurement is a decisive, practical test for spinon Landau levels, providing quantitative expectations where clear experimental evidence has so far been lacking.

Dzyaloshinskii-Moriya interaction↗
DOE OSTI2020

In situ liquid SEM imaging analysis revealing particle dispersity in aqueous solutions

A quantitative description on dispersity of boehmite (γ-AlOOH) particles, a key component for waste slurry at Hanford sites, can provide useful knowledge for understanding various physicochemical nature of the waste. In this work, in situ liquid scanning electron microscopy (SEM) was used to evaluate the dispersity of particles in aqueous conditions using a microfluidic sample holder, System for Analysis at Liquid Vacuum Interface (SALVI). Secondary electron (SE) images and image analyses were performed to determine particle centroid locations and the distance to the nearest neighbour particle centroid, providing reliable rescaled interparticle distances as a function of ionic strength in acidic and basic conditions. Our finding of the particle dispersity is consistent with physical insights from corresponding particle interactions under physicochemical conditions, demonstrating delicate changes in dispersity of boehmite particles based on novel in situ liquid SEM imaging and analysis.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Comparison of measurement techniques and sorption of radium-226 in low and high salinity aqueous samples

Human activities have the potential to redistribute radium (Ra) in the marine environment in a manner that may necessitate monitoring or management of subsequent human or environmental exposures. There is therefore a need to identify accurate and accessible techniques for Ra measurement in high salinity samples and to describe the distribution of Ra in estuarine and marine environments, but most efforts in these areas have focused on low salinity matrices. In addition, rapid and reliable measurements are crucial for time-sensitive samples such as short-lived isotopes or emergency situations. The objective of this study is to describe the limits of detection, cost, and relative ease for measurement of Ra in both low and high salinity aqueous samples via three analytical methods: liquid scintillation counting (LSC), high purity germanium (HPGe) gamma spectrometry, and inductively coupled plasma mass spectrometry (ICP-MS). To contextualize these measurements for real-world scenarios, the partitioning of 226 Ra to substrates relevant to the marine environment was also characterized. Although HPGe detection with solid phase extraction had the lowest limit of detection for low salinity samples (0.27 Bq L −1 ), poor 226 Ra recovery for high salinity samples and high materials costs make this method prohibitive for many users. Limits of detection for high salinity samples were lower for LSC (1.28 Bq L −1 ) than for ICP-MS without dilution (11.4 Bq L −1 ), but significant and unexpected degradation of the high salinity LSC standards was observed after six months. Furthermore, our preferred measurement method for high salinity Ra samples is ICP-MS with sample dilution as necessary to reduce matrix effects.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

The Impact of Micro Porous Layer on Liquid Water Evolution inside PEMFC using Lattice Boltzmann Method

Proton exchange membrane fuel cells (PEMFCs) require a gas diffusion layer to aid in fuel transport to the catalyst sites. A microporous layer (MPL) is often added to the GDL to improve liquid saturation inside gas diffusion media. In this work, the lattice Boltzmann method was applied to four GDL samples with the addition of an MPL. Three injection orientations were used to study liquid evolution through the samples. Each orientation used four different injection pressures, ranging from 5,000 Pa to 8,000 Pa. Saturation data for GDL samples with and without an MPL were compared. Results showed that when adding an MPL, liquid tends to distribute laterally under the MPL until pressure is reached to allow liquid to travel through the cracks of the MPL surface and into the GDL geometry. A more uniform saturation distribution across the sample is seen when comparing both types of GDLs. The outcomes of this work will help research that requires knowledge of the internal liquid transport through gas diffusion media for PEMFC application.

Sepe, M.↗
DOE OSTI2023

Summary of Savannah River Site FY22 Salt Waste Qualification Data

The Savannah River National Laboratory analyzed samples from Savannah River Site Waste Tank 41H, 21H and 42H to support qualification of Salt Waste Processing Facility (SWPF) Waste Batches 5, 6, and 7 for processing (the FY22 Salt Batch Qualification samples). None of the samples displayed any unusual or unexpected characteristics such as large amounts of solids, floating solids, or unusual color. Characterization of these samples confirmed similar chemical composition and characteristics to previous salt waste batches. These results were initially provided to Savannah River Mission Completion (Liquid Waste Operations subcontractor) as External Sample Results LIMS Reports and the Tank 41H (Salt Batch 5 sample) was also summarized in two separate technical reports. The analytical results (both rapid and long term) are now summarized and discussed in this technical report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗